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72716-87-1

72716-87-1 | 2-Methoxyisonicotinaldehyde

CAS No: 72716-87-1 Catalog No: AG005FIC MDL No:MFCD06410680

Product Description

Catalog Number:
AG005FIC
Chemical Name:
2-Methoxyisonicotinaldehyde
CAS Number:
72716-87-1
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD06410680
IUPAC Name:
2-methoxypyridine-4-carbaldehyde
InChI:
InChI=1S/C7H7NO2/c1-10-7-4-6(5-9)2-3-8-7/h2-5H,1H3
InChI Key:
VOCKNCWQVHJMAE-UHFFFAOYSA-N
SMILES:
COc1nccc(c1)C=O

Properties

Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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